CFam Chemical Families Database
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You are searching for "CFAMM00108217" 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 CFAMM00108217
Family CFFAD853 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family
Superfamily CFSAD715 Atrial natriuretic peptide receptor 1 Ligand Nesiritide Superfamily
Class CFCAD645 Class 645
External ID CHEMBL134481 External Source CHEMBL
PubChem CID 10102362 Functional Category Bioactive
Molecule Name (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid
IUPAC Name (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid
Synonyms CHEBI:322409
InChi InChI=1S/C44H66N10O11S/c1-26(2)20-31(41(62)50-30(38(47)59)17-19-66-3)49-36(56)24-48-40(61)32(21-27-12-6-4-7-13-27)52-42(63)33(22-28-14-8-5-9-15-28)53-44(65)35(25-55)54-43(64)34(23-37(57)58)51-39(60)29(46)16-10-11-18-45/h4-9,12-15,26,29-35,55H,10-11,16-25,45-46H2,1-3H3,(H2,47,59)(H,48,61)(H,49,56)(H,50,62)(H,51,60)(H,52,63)(H,53,65)(H,54,64)(H,57,58)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
InChiKey NQIPNEISCKYLGD-POFDKVPJSA-N
Formula C44H66N10O11S Molecular Weight 943.12
Cross Link CHEMBL134481
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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