BioLiP

PDB

BioLiP

PDB CCD ID:

B3Y

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1

InChIKey:

VUNPIAMEJXBAFP-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(CC(=O)O)N)O
CACTVS 3.341	N[CH](CC(O)=O)Cc1ccc(O)cc1
ACDLabs 10.04	O=C(O)CC(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](CC(=O)O)N)O
CACTVS 3.341	N[C@H](CC(O)=O)Cc1ccc(O)cc1

Name:

(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID

ZINC:

ZINC000002386832

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).