BioLiP

PDB

BioLiP

PDB CCD ID:

PJJ

Number of entries in BioLiP:

Chemical formula:

C19 H23 N O3

InChI:

InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1

InChIKey:

FXTZKZFWIYSHRP-SQNIBIBYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O
ACDLabs 12.01	O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2
CACTVS 3.370	N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O
CACTVS 3.370	N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O

Name:

(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid

ZINC:

ZINC000098209304

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).