CFAM Mol ID	CFAMM00433858
Family	CFFBM15401 Matrix metalloproteinase-9 and Neutrophil collagenase inhibitor (2R)-N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide family
Superfamily	CFSBM2190 Inositol monophosphatase 1 and Cruzipain Binder Superfamily
Class	CFCID923 Class 2273
External ID	CHEMBL330791	External Source	CHEMBL
PubChem CID	44347623	Functional Category	Bioactive
Molecule Name	(2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
IUPAC Name	(2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Synonyms	CHEBI:301554
InChi	InChI=1S/C27H34N4O4.C2HF3O2/c28-21-8-5-18(6-9-21)15-30-27(33)23-4-2-12-31(23)26(32)14-22(20-3-1-11-29-16-20)19-7-10-24-25(13-19)35-17-34-24;3-2(4,5)1(6)7/h1,3,7,10-11,13,16,18,21-23H,2,4-6,8-9,12,14-15,17,28H2,(H,30,33);(H,6,7)/t18?,21?,22?,23-;/m0./s1
InChiKey	HIPPYWSIPBZZHJ-LHRMRAMVSA-N
Formula	C27H34N4O4.C2HF3O2	Molecular Weight	592.61
Cross Link	CHEMBL330791
Structure

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).

Last update by

2014.08.29

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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