Ki Summary

Reaction Details

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Target

Nociceptin receptor

Ligand

BDBM50274468

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_537143 (CHEMBL989803)

IC50

2.1±n/a nM

Citation

Okada, K; Isozaki, K; Li, J; Matsushima, A; Nose, T; Costa, T; Shimohigashi, Y Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation. Bioorg Med Chem16:9261-7 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Nociceptin receptor

Name:

Nociceptin receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

40531.08

Organism:

RAT

Description:

Nociceptin/Orphanin FQ, NOP receptor 0 RAT::P35370

Residue:

367

Sequence:

MESLFPAPYWEVLYGSHFQGNLSLLNETVPHHLLLNASHSAFLPLGLKVTIVGLYLAVCI
GGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALC
KTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGV
PVAIMGSAQVEDEEIECLVEIPAPQDYWGPVFAICIFLFSFIIPVLIISVCYSLMIRRLR
GVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETAVAILRF
CTALGYVNSCLNPILYAFLDENFKACFRKFCCASSLHREMQVSDRVRSIAKDVGLGCKTS
ETVPRPA

BDBM50274468

n/a

Name

BDBM50274468

Synonyms:

CHEMBL510117 | FGGFTGARKSARKLWNQ

Type

Small organic molecule

Emp. Form.

C87H134N28O22

Mol. Mass.

1924.1693

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r,wU:91.92,68.68,100.103,59.59,39.44,28.28,8.13,106.107,128.131,wD:72.80,48.55,33.35,17.24,4.4,120.123,(47.19,-24.72,;47.19,-23.18,;48.53,-22.41,;45.85,-22.41,;45.85,-20.87,;44.53,-20.1,;43.18,-20.88,;43.18,-22.41,;41.85,-20.11,;41.85,-18.57,;43.18,-17.79,;43.18,-16.25,;44.52,-15.48,;44.52,-13.94,;40.52,-20.88,;39.19,-20.11,;39.19,-18.56,;37.85,-20.88,;37.85,-22.42,;39.19,-23.19,;39.19,-24.73,;40.53,-25.5,;40.53,-27.04,;39.19,-27.8,;41.86,-27.81,;36.52,-20.12,;35.18,-20.89,;35.18,-22.42,;33.85,-20.11,;33.85,-18.57,;32.52,-20.89,;31.18,-20.12,;31.18,-18.58,;29.85,-20.89,;29.85,-22.43,;31.18,-23.2,;28.52,-20.12,;27.18,-20.89,;27.18,-22.43,;25.85,-20.12,;25.85,-18.58,;27.18,-17.82,;27.18,-16.27,;28.51,-15.5,;28.51,-13.96,;24.51,-20.9,;23.18,-20.13,;23.18,-18.59,;21.84,-20.9,;21.84,-22.43,;23.18,-23.21,;23.18,-24.74,;24.52,-25.52,;24.52,-27.06,;23.18,-27.82,;25.85,-27.83,;20.51,-20.13,;19.17,-20.9,;19.17,-22.44,;17.84,-20.14,;17.84,-18.59,;16.51,-20.91,;15.17,-20.14,;15.17,-18.59,;13.84,-20.91,;12.51,-20.14,;11.17,-20.92,;11.17,-22.45,;9.84,-20.14,;8.5,-20.91,;7.17,-20.15,;7.17,-18.61,;5.84,-20.92,;5.84,-22.46,;7.17,-23.23,;8.5,-22.45,;9.84,-23.22,;9.84,-24.76,;8.51,-25.54,;7.18,-24.76,;4.5,-20.15,;3.17,-20.92,;3.17,-22.46,;1.84,-20.16,;.5,-20.93,;-.84,-20.16,;-.84,-18.62,;-2.16,-20.93,;-3.5,-20.16,;-4.84,-20.93,;-4.84,-22.47,;-6.17,-20.16,;-7.51,-20.93,;-6.17,-18.62,;-4.84,-17.85,;-3.51,-18.62,;-2.17,-17.84,;-2.17,-16.31,;-3.51,-15.54,;-4.84,-16.31,;9.84,-18.6,;8.5,-17.83,;11.17,-17.83,;47.19,-20.1,;47.19,-18.56,;48.52,-20.87,;49.86,-20.1,;49.86,-18.55,;51.19,-17.79,;52.6,-18.41,;53.62,-17.26,;52.86,-15.93,;53.33,-14.46,;52.29,-13.32,;50.79,-13.64,;50.32,-15.11,;51.35,-16.25,;51.19,-20.86,;51.19,-22.4,;52.53,-20.09,;53.86,-20.86,;53.86,-22.4,;55.2,-23.17,;56.54,-22.4,;55.2,-24.71,;55.2,-20.09,;55.2,-18.55,;56.53,-20.86,;57.86,-20.08,;57.86,-18.54,;59.2,-17.78,;59.2,-16.23,;57.85,-15.46,;60.53,-15.47,;59.2,-20.86,;60.53,-20.09,;59.2,-22.39,)|

Structure