SEQ2FUN

BioLiP

PDB CCD ID: BIO
Number of entries in BioLiP: 24
Chemical formula: C9 H11 N5 O3
InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
InChIKey: LHQIJBMDNUYRAM-AWFVSMACSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O
ACDLabs 10.04O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C
CACTVS 3.341C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1
CACTVS 3.341C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1
OpenEye OEToolkits 1.5.0CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O
Name:BIOPTERIN
DrugBank: DB03886
ZINC: ZINC000017129255
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).