BioLiP

PDB

BioLiP

PDB CCD ID:

4AW

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1

InChIKey:

FICCYWIDRZLXIS-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1c[nH]c2cccnc12)C(O)=O
OpenEye OEToolkits 1.9.2	c1cc2c(c(c[nH]2)CC(C(=O)O)N)nc1
OpenEye OEToolkits 1.9.2	c1cc2c(c(c[nH]2)C[C@@H](C(=O)O)N)nc1
CACTVS 3.385	N[C@@H](Cc1c[nH]c2cccnc12)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc2c1ncccc1nc2

Name:

4-AZATRYPTOPHAN

ZINC:

ZINC000083285200

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).