CFam Chemical Families Database
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You are searching for "CFAMM00295493" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00295493
Family CFFID3649 Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family
Superfamily CFSID2502 Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Superfamily
Class CFCID1483 Class 2833
External ID DNC012825 External Source TTD
PubChem CID 44388179 Functional Category Investigative Drug
Molecule Name AcAsp-Glu-Cha-Val-Prb-Cys
IUPAC Name (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S,4R)-2-[(1-carboxy-2-sulfanylethyl)carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Synonyms CHEBI:398180;DNC012825
InChi InChI=1S/C40H58N6O13S/c1-22(2)34(39(56)46-19-26(59-20-25-12-8-5-9-13-25)17-31(46)38(55)44-30(21-60)40(57)58)45-37(54)28(16-24-10-6-4-7-11-24)43-35(52)27(14-15-32(48)49)42-36(53)29(18-33(50)51)41-23(3)47/h5,8-9,12-13,22,24,26-31,34,60H,4,6-7,10-11,14-21H2,1-3H3,(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,54)(H,48,49)(H,50,51)(H,57,58)/t26-,27+,28+,29+,30?,31+,34+/m1/s1
InChiKey UINXWQSPCZCPNY-MKVQYLHRSA-N
Formula C40H58N6O13S Molecular Weight 862.99
Cross Link
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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