CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00433365" in compound.

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CFAM Mol ID CFAMM00433365
Family CFFBM15322 Endothelin-1 receptor and Endothelin B receptor ligand 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid family
Superfamily CFSBM5309 Prothrombin and Endothelin-1 receptor Binder Superfamily
Class CFCCD64 Class 877
External ID CHEMBL305524 External Source CHEMBL
PubChem CID 44315008 Functional Category Bioactive
Molecule Name 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-ethylsulfanylpropanoic acid
IUPAC Name 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-ethylsulfanylpropanoic acid
Synonyms CHEBI:221708
InChi InChI=1S/C30H44BrN5O5S/c1-6-42-16-25(29(39)40)34-28(38)24(15-21-20-12-7-8-13-22(20)32-26(21)31)33-27(37)23(14-17(2)3)35-30(41)36-18(4)10-9-11-19(36)5/h7-8,12-13,17-19,23-25,32H,6,9-11,14-16H2,1-5H3,(H,33,37)(H,34,38)(H,35,41)(H,39,40)/t18-,19+,23?,24-,25?/m1/s1
Formula C30H44BrN5O5S Molecular Weight 666.67
Cross Link CHEMBL305524

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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