BioLiP

PDB

BioLiP

PDB CCD ID:

MFH

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O3

InChI:

InChI=1S/C10H14N2O3/c11-8(6-12-10(14)15)5-7-1-3-9(13)4-2-7/h1-4,8,12-13H,5-6,11H2,(H,14,15)/t8-/m0/s1

InChIKey:

MAFLUNGZGRQAEK-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C[C@@H](CNC(=O)O)N)O
CACTVS 3.385	N[CH](CNC(O)=O)Cc1ccc(O)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(CNC(=O)O)N)O
CACTVS 3.385	N[C@H](CNC(O)=O)Cc1ccc(O)cc1

Name:

[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid

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).