BioLiP

PDB

BioLiP

PDB CCD ID:

APH

Number of entries in BioLiP:

Chemical formula:

C10 H13 N3 O2

InChI:

InChI=1S/C10H13N3O2/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H3,12,13)(H,14,15)/t8-/m1/s1

InChIKey:

XPRCPVGCTGELMN-MRVPVSSYSA-N

SMILES:

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

Name:

P-AMIDINOPHENYL-3-ALANINE;
D-BETA(4-AMIDINOPHENYL)-ALANINE

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).