BioLiP

PDB

BioLiP

PDB CCD ID:

LT0

Number of entries in BioLiP:

Chemical formula:

C14 H17 N3 O4

InChI:

InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1

InChIKey:

MYVYPSWUSKCCHG-PWSUYJOCSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O
CACTVS 3.385	N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)CC(C(=O)NC(CO)C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CO)C(=O)O)N

Name:

D-tryptophyl-L-serine;
(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid;
D-Trp-Ser dipeptide

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).