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BioLiP

PDB CCD ID: 4IN
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O
OpenEye OEToolkits 1.7.2c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N
OpenEye OEToolkits 1.7.2c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N
CACTVS 3.370N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O
ACDLabs 12.01O=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, Peter L 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).

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