CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00235013" in compound.

Total 1 results found.

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 CFAMM00235013
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL84879 External Source CHEMBL
PubChem CID 44318776 Functional Category Bioactive
Molecule Name AGN-PC-074LDK
IUPAC Name methyl 2-[[2-[[2-[[3-hydroxy-6-methyl-4-[2-[[4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]propanoylamino]heptanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate
Synonyms CHEBI:235454;methyl 2-[[2-[[2-[[3-hydroxy-6-methyl-4-[2-[[4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]propanoylamino]heptanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate
InChi InChI=1S/C52H81N7O11/c1-30(2)24-37(55-45(62)34(9)53-46(63)38(25-31(3)4)56-47(64)40(28-36-22-18-15-19-23-36)58-51(68)70-52(10,11)12)42(60)29-43(61)54-39(27-35-20-16-14-17-21-35)48(65)59-44(33(7)8)49(66)57-41(26-32(5)6)50(67)69-13/h14-23,30-34,37-42,44,60H,24-29H2,1-13H3,(H,53,63)(H,54,61)(H,55,62)(H,56,64)(H,57,66)(H,58,68)(H,59,65)
Formula C52H81N7O11 Molecular Weight 980.24
Cross Link CHEMBL84879

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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National University of Singapore, Singapore

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