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BioLiP

PDB CCD ID: 4PQ
Number of entries in BioLiP: 0
Chemical formula: C11 H12 N2 O3
InChI: InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKey: LDCYZAJDBXYCGN-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O
ACDLabs 12.01NC(C(=O)O)Cc1cnc2ccc(cc12)O
CACTVS 3.385N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
OpenEye OEToolkits 1.7.6c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N
Name:5-hydroxy-L-tryptophan;
Oxitriptan
ChEMBL: CHEMBL350221
DrugBank: DB02959
ZINC: ZINC000000895330
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)(download the PDF file).
  • 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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