SEQ2FUN

BioLiP

PDB CCD ID: RLP
Number of entries in BioLiP: 10
Chemical formula: C14 H18 N4 O9
InChI: InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24,26H,1-4H2,(H,22,23)(H,17,25,27)/t6-,7+,10-/m0/s1
InChIKey: ZUXCIPRCLKZSHS-PJKMHFRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)O
ACDLabs 10.04O=C(O)CCC=2N=C1C(=NC(=O)NC1=O)N(C=2O)CC(O)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O
Name:3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID
DrugBank: DB04262
ZINC: ZINC000103555562
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).