BioLiP

PDB

BioLiP

PDB CCD ID:

TNQ

Number of entries in BioLiP:

Chemical formula:

C13 H15 N3 O5

InChI:

InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1

InChIKey:

OVNQKDAKGBDVIB-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)NCC(=O)O
CACTVS 3.385	N[C@@H](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O
OpenEye OEToolkits 2.0.6	c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)NCC(=O)O
CACTVS 3.385	N[CH](Cc1c[nH]c2c(O)c(NCC(O)=O)ccc12)C(O)=O
ACDLabs 12.01	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O

Name:

6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan

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).