Murcko scaffold
Ring system with 5 rings and 53 atoms
43 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 53
- Chemicals
- 43
- With full pages
- 5
Scaffold SMILES
O=C1CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCc2ccccc2)CSSCCN1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=C1CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCc2ccccc2)CSSCCN1](/scaffold/KNVRCORAHVHTHL-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 43 of 43 chemicals
Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide
CAS 103429-31-8C50H67N11O11S2
Pentetreotide
CAS 138661-02-6C63H87N13O19S2
3-Tyr-octreotide
CAS 103667-46-5C49H66N10O11S2
RC 121
CAS 99660-13-6C50H67N11O10S2
Somatostatin RC 102
CAS 99685-66-2C49H65N11O10S2
RC 161
CAS 103237-51-0C52H69N11O11S2
San 201-456
CAS 79486-60-5C45H58N10O8S2
![([Ring-D5]Phe3)-octreotide chemical structure, C51H70N10O12S2, CAS 760176-26-9](/s/XQEJFZYLWPSJOV-UHFFFAOYSA-N.svg)
([Ring-D5]Phe3)-octreotide
CAS 760176-26-9C51H70N10O12S2
Octreotide (USAN/INN)
CAS 1240797-41-4C49H66N10O10S2
Octreotide
CAS 83150-76-9C49H66N10O10S2
![Indium in 111 pentetreotide [USAN] chemical structure, C63H84InN13O19S2, CAS 159201-00-0](/s/ONJXCGCIKIYAPL-UHFFFAOYSA-K.svg)
Indium in 111 pentetreotide [USAN]
CAS 159201-00-0C63H84InN13O19S2
![[Tyr3]octreotate chemical structure, C49H64N10O12S2, CAS 302794-43-0](/s/QGZGIBMEBJNHKH-XNHQACNRSA-N.svg)
[Tyr3]octreotate
CAS 302794-43-0C49H64N10O12S2
Sdz 223228
CAS 178181-50-5C52H69FN10O11S2
Ctap
CAS 103429-32-9C51H69N13O11S2
(D-Phe5,Cys6,11,N-Me-D-Trp8)-Somatostatin-14 (5-12) amide
CAS 340821-13-8C50H67N11O10S2
Octreotide impurity 38
CAS 160841-00-9C45H57N9O9S2
AP-102
CAS 846569-60-6C50H66I2N12O10S2
O-Acetyl octreotide
CAS 133304-81-1C51H68N10O11S2
Sdz 215-811
CAS 142694-57-3C63H85N13O20S2
Desferrioxamine B-succinyl-phenylalanine(1)-octreotide
CAS 151956-24-0C78H113GaN16O20S2
Octreotide pamoate
CAS 135467-16-2C72H82N10O16S2
Indium In-111 Pentetreotide
CAS 139096-04-1C62H80InN12O19S2-
Octreotide hydrochloride
CAS 1607842-55-6C49H68Cl2N10O10S2
Tyr(3)-octreotide I-123
CAS 184584-18-7C49H65IN10O11S2
- Tyr(3)-octreotide I-131187810-07-7C49H65IN10O11S2
- Tyr(3)-octreotide I-125113202-69-0C49H65IN10O11S2
- [Tyr3,lys5(boc)]octreotide acetate147790-89-4C54H74N10O13S2
- H-Phe-Cys(1)-Tyr-D-Trp-Lys-D-aThr-Cys(1)-D-Thr-olC49H66N10O11S2
- H-D-Phe-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2 trifluoroacetate salt (Disulfide bond)2828432-43-3C52H68F3N11O13S2
- Acetyl-Lys5-octreotide173606-11-6C51H68N10O11S2
- ([Ring-D5]Phe3)-octreotide acetate1134880-79-7C51H70N10O12S2
- Nendratareotide2251119-65-8C48H63N11O10S3
- 66 suppliersOctreotide acetate79517-01-4C53H74N10O14S2
- L-Cysteinamide, N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-L-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (3a8)-disulfide215935-08-3C63H87N13O19S2
- 111In-DTPA-L-Phe1-octreotide parent772323-46-3C63H83InN13O19S2-
- 111In-DTPA-L-Phe1-octreotide215949-25-0C63H84InN13O19S2
- H-Phe-Cys(1)-Tyr-D-Trp-Lys-D-aThr-DL-Cys(1)-D-Thr-ol96608-80-9C49H66N10O11S2
- Acetyl-octreotide83795-61-3C51H68N10O11S2
- H-Phe-Cys(1)-Tyr-D-Trp-Lys-DL-Thr-Cys(1)-D-Thr-olC49H66N10O11S2
- H-D-Phe-Cys(1)-Phe-D-Trp-Lys-D-Thr-Cys(1)-Thr-ol.TFA87759-89-5C51H67F3N10O12S2
- H-D-Phe-Cys(1)-Phe-D-Trp-DL-Lys-D-aThr-Cys(1)-ol.CH3CO2H1546983-18-9C47H63N9O10S2
- Octreotide impurity 131546983-33-8C51H68N10O11S2
- H-D-Phe-Cys(1)-Phe-D-Trp(MeOH)(MeOH)-Lys-Thr-Cys(1)-Thr-ol1546983-16-7C50H68N10O11S2