BioLiP

PDB

BioLiP

PDB CCD ID:

ZOY

Number of entries in BioLiP:

Chemical formula:

C21 H35 N3 O2

InChI:

InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1

InChIKey:

PXLGZFSIHCIIGA-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
ACDLabs 12.01	NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCCCCCCCCC(=O)NCCCC(C(=O)N)N
CACTVS 3.385	N[C@@H](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=O)N)N

Name:

N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).