CFam Chemical Families Database
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You are searching for "CFAMM00306247" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00306247
Family CFFBM43 Caspase-3 and Caspase-1 inhibitor (4S)-5-[[(2S)-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid family
Superfamily CFSAD675 Serum albumin Inhibitor Gadobenate Dimeglumine Superfamily
Class CFCAD610 Class 610
External ID CHEMBL425458 External Source CHEMBL
PubChem CID 44267898 Functional Category Bioactive
Molecule Name desLys-AIP
IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
Synonyms CHEBI:110285
InChi InChI=1S/C60H98N18O19/c1-29(2)25-40(75-48(85)34(9)70-60(96)97-28-35-15-11-10-12-16-35)55(92)72-37(18-14-24-67-59(64)65)51(88)71-36(17-13-23-66-58(62)63)52(89)73-38(19-21-43(61)79)53(90)74-39(20-22-44(80)81)50(87)68-33(8)49(86)78-46(31(5)6)56(93)76-41(27-45(82)83)54(91)69-32(7)47(84)77-42(57(94)95)26-30(3)4/h10-12,15-16,29-34,36-42,46H,13-14,17-28H2,1-9H3,(H2,61,79)(H,68,87)(H,69,91)(H,70,96)(H,71,88)(H,72,92)(H,73,89)(H,74,90)(H,75,85)(H,76,93)(H,77,84)(H,78,86)(H,80,81)(H,82,83)(H,94,95)(H4,62,63,66)(H4,64,65,67)/t32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChiKey RZJKNYACYSIBFY-ZBZGBMJPSA-N
Formula C60H98N18O19 Molecular Weight 1375.53
Cross Link CHEMBL425458
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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