BioLiP

PDB

BioLiP

PDB CCD ID:

4IN

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O2

InChI:

InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1

InChIKey:

JUDQOTGDEFNIKF-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O
OpenEye OEToolkits 1.7.2	c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N
OpenEye OEToolkits 1.7.2	c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N
CACTVS 3.370	N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc2c1c(cccc1nc2)N

Name:

4-AMINO-L-TRYPTOPHAN;
2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID

DrugBank:

DB02286

ZINC:

ZINC000053683620

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).