BioLiP

PDB

BioLiP

PDB CCD ID:

APA

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1

InChIKey:

FAFAPKBWTCDDJC-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	[H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N
CACTVS 3.370	NC(=N)c1ccc(C[C@H](O)C(O)=O)cc1
CACTVS 3.370	NC(=N)c1ccc(C[CH](O)C(O)=O)cc1
ACDLabs 12.01	O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N
OpenEye OEToolkits 1.7.0	c1cc(ccc1CC(C(=O)O)O)C(=N)N

Name:

(2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid

ZINC:

ZINC000015277701

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).