Murcko scaffold
Ring system with 2 rings and 46 atoms
23 chemicals on CompoundList share this ring system.
- Rings
- 2
- Scaffold atoms
- 46
- Chemicals
- 23
- With full pages
- 6
Scaffold SMILES
C=C1NC(=O)CCCNC(=O)CC(C=CC=CCCCc2ccccc2)NC(=O)CNC(=O)CCNC(=O)CNC(=O)CNC1=O
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.
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 23 of 23 chemicals
Microcystin-lr
CAS 101043-37-2C49H74N10O12
Microcystin LA
CAS 96180-79-9C46H67N7O12
Microcystin RR
CAS 111755-37-4C49H75N13O12
Toxin II, cyanobacterium
CAS 120011-66-7C48H72N10O12
(Dha7)MC-RR
CAS 131022-02-1C48H73N13O12
7-Desmethylmicrocystin LR
CAS 134842-07-2C48H72N10O12
A-Admaadda-M-lhar
CAS 141663-36-7C50H74N10O13
Microcystin LL
CAS 154037-67-9C49H73N7O12
3,7-Didesmethylmicrocystin LR
CAS 126268-88-0C47H70N10O12
Microcystin ar
C46H68N10O12
Toxin III, cyanobacterium
CAS 118389-25-6C47H71N13O12
(Ser(1)-admadda(5))microsystin-LR
CAS 141634-76-6C50H74N10O14
Microcystin HilR
CAS 169789-55-3C50H76N10O12
![[D-Asp3]MC-RR chemical structure, C48H73N13O12, CAS 118389-26-7](/s/UNKUVURYGRFCIZ-LTPNNWFFSA-N.svg)
[D-Asp3]MC-RR
CAS 118389-26-7C48H73N13O12
Microcystin
CAS 77238-39-2C49H74N10O12
Microcystin-AR
CAS 138258-91-0C46H68N10O12
![[D-Asp3,E-dhb7]-microcystin-RR chemical structure, C48H73N13O12, CAS 202120-08-9](/s/JIVQGWHGELHXHV-HCYRQVSSSA-N.svg)
[D-Asp3,E-dhb7]-microcystin-RR
CAS 202120-08-9C48H73N13O12
![[D-Asp3]MC-LL chemical structure, C48H71N7O12, CAS 874164-11-1](/s/XJIZHUWILPFIOA-IHYVCQHASA-N.svg)
[D-Asp3]MC-LL
CAS 874164-11-1C48H71N7O12
(D-Met(O)1)MC-LR
CAS 1651178-05-0C51H78N10O13S
Microcystin LV
CAS 154037-68-0C48H71N7O12
![[D-Asp3,DMAdda5]MC-LR chemical structure, C47H70N10O12, CAS 1616976-12-5](/s/FYRAXCGEXQMBHA-RHFXSWBISA-N.svg)
[D-Asp3,DMAdda5]MC-LR
CAS 1616976-12-5C47H70N10O12
![(5R,8S,11R,12S,15S,18S,19S,22R)-8-{3-[(Diaminomethylidene)amino]propyl}-18-[(3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,15,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid chemical structure, C46H68N10O12, CAS 209464-04-0](/s/RVBWUYJOJNTTSZ-PJZWRBFLSA-N.svg)
(5R,8S,11R,12S,15S,18S,19S,22R)-8-{3-[(Diaminomethylidene)amino]propyl}-18-[(3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,15,19-pentamethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
CAS 209464-04-0C46H68N10O12
Microcystin (N-Me)-LR
CAS 1865776-22-2C50H76N10O12