VRW

Nanvuranlat

Created:	2023-08-10
Last modified:	2024-11-11

Find Related PDB Entry
3 entries where VRW is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	22

2D diagram of VRW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	Nanvuranlat
Synonyms	(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid
Formula	C₂₃ H₁₉ Cl₂ N₃ O₄
Molecular Weight	472.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)CC(C(=O)O)N)Cl)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)C[C@@H](C(=O)O)N)Cl)N
InChI	InChI	1.06	InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1
InChIKey	InChI	1.06	XNRZJPQTMQZBCE-SFHVURJKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB18250 ?
Name	Nanvuranlat
Groups	investigational
Synonyms	Nanvuranlat O-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methyl)-3,5- dichloro-l-tyrosine (2s)-2-amino-3-(4-((5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy)-3,5-dichloro-phenyl)propanoic acid L-tyrosine, o-((5-amino-2-phenyl-7-benzoxazolyl)methyl)-3,5-dichloro-
Categories	Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Heterocyclic Compounds, Fused-Ring
CAS number	1037592-40-7

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4538666
PubChem	24853505
ChEMBL	CHEMBL4538666

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.