BioLiP

PDB

BioLiP

PDB CCD ID:

TOQ

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O4

InChI:

InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1

InChIKey:

NKLKDDZIKAVXNO-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)O
CACTVS 3.370	N[CH](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O
CACTVS 3.370	N[C@@H](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O
OpenEye OEToolkits 1.7.2	c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O
ACDLabs 12.01	O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2

Name:

6,7-dihydroxy-L-tryptophan

ZINC:

ZINC000098209457

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).