BioLiP

PDB

BioLiP

PDB CCD ID:

TRQ

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O4

InChI:

InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1

InChIKey:

QNXHRZBZDHLGQO-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2
OpenEye OEToolkits 1.5.0	c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
OpenEye OEToolkits 1.5.0	c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(=O)O)N

Name:

2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID

ZINC:

ZINC000033510071

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).