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BioLiP

PDB CCD ID: BR4
Number of entries in BioLiP: 1
Chemical formula: C25 H33 N O3
InChI: InChI=1S/C25H33NO3/c27-24(16-10-2-1-5-11-21-12-6-3-7-13-21)26-23(19-20-25(28)29)18-17-22-14-8-4-9-15-22/h3-4,6-9,12-15,23H,1-2,5,10-11,16-20H2,(H,26,27)(H,28,29)/t23-/m1/s1
InChIKey: SMNHQYPORNSAQH-HSZRJFAPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCCCC(=O)NC(CCc2ccccc2)CCC(=O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O
CACTVS 3.341OC(=O)CC[C@@H](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2
CACTVS 3.341OC(=O)CC[CH](CCc1ccccc1)NC(=O)CCCCCCc2ccccc2
ACDLabs 10.04O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)CCc2ccccc2
Name:6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID
DrugBank: DB03471
ZINC: ZINC000006579298
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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