BioLiP

PDB

BioLiP

PDB CCD ID:

73O

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O3

InChI:

InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1

InChIKey:

LOOZZTFGSTZNRX-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1cc(ccc1CCC(C(=O)O)N)O
CACTVS 3.385	N[CH](CCc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 2.0.5	c1cc(ccc1CC[C@@H](C(=O)O)N)O
CACTVS 3.385	N[C@@H](CCc1ccc(O)cc1)C(O)=O

Name:

(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid

ZINC:

ZINC000002572524

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).