Ki Summary

Reaction Details

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Target

Nociceptin receptor

Ligand

BDBM50296844

Substrate

n/a

Meas. Tech.

ChEMBL_582618 (CHEMBL1054181)

IC50

0.31±n/a nM

Citation

Nishimura, H; Li, J; Isozaki, K; Okada, K; Matsushima, A; Nose, T; Costa, T; Shimohigashi, Y Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation. Bioorg Med Chem 17:5683-7 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

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:

MESLFPAPYWEVLYGSHFQGNLSLLNETVPHHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPAPQDYWGPVFAICIFLFSFIIPVLIISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASSLHREMQVSDRVRSIAKDVGLGCKTSETVPRPA

Inhibitor

Name:

BDBM50296844

Synonyms:

CHEMBL558807 | FGGFTGARKSARKKWNQ

Type:

Small organic molecule

Emp. Form.:

C87H135N29O22

Mol. Mass.:

1939.1839

SMILES:

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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:1.1,73.75,89.90,42.44,26.27,107.108,129.132,58.59,3.3,wD:78.79,7.15,47.48,98.99,121.124,67.68,(7.77,-3.8,;9.1,-4.57,;10.44,-3.81,;9.09,-6.11,;7.75,-6.88,;6.42,-6.1,;6.43,-4.56,;5.08,-6.86,;5.07,-8.4,;6.4,-9.18,;6.39,-10.71,;7.71,-11.49,;9.06,-10.73,;9.06,-9.18,;7.74,-8.42,;3.75,-6.08,;2.42,-6.85,;2.41,-8.39,;1.09,-6.07,;-.25,-6.83,;-1.58,-6.05,;-1.57,-4.51,;-2.92,-6.82,;-4.25,-6.04,;-5.59,-6.8,;-5.6,-8.34,;-6.91,-6.02,;-8.25,-6.79,;-6.9,-4.48,;-8.23,-3.71,;-8.22,-2.17,;-9.55,-1.38,;-10.89,-2.15,;-10.9,-3.7,;-9.57,-4.46,;10.42,-6.89,;10.41,-8.43,;11.76,-6.13,;13.09,-6.91,;14.42,-6.14,;14.43,-4.6,;15.75,-6.92,;17.09,-6.16,;17.1,-4.62,;18.42,-6.94,;18.41,-8.48,;19.76,-6.17,;21.09,-6.95,;21.08,-8.49,;19.74,-9.25,;19.73,-10.79,;18.39,-11.56,;18.38,-13.1,;17.05,-13.86,;19.72,-13.87,;22.43,-6.19,;22.44,-4.65,;23.76,-6.97,;25.09,-6.2,;25.1,-4.66,;26.44,-3.9,;26.45,-2.36,;27.79,-1.6,;27.79,-.06,;26.42,-6.98,;26.41,-8.52,;27.76,-6.22,;29.09,-7,;29.08,-8.54,;27.74,-9.3,;30.43,-6.23,;30.44,-4.69,;31.76,-7.01,;33.1,-6.25,;33.11,-4.71,;34.42,-7.03,;34.41,-8.57,;35.76,-6.26,;37.09,-7.04,;37.08,-8.58,;35.74,-9.34,;35.73,-10.88,;34.39,-11.65,;34.38,-13.19,;33.05,-13.95,;35.72,-13.96,;38.43,-6.28,;38.44,-4.74,;39.76,-7.06,;41.1,-6.29,;41.11,-4.75,;42.45,-3.99,;42.45,-2.45,;43.79,-1.69,;43.8,-.15,;42.43,-7.07,;42.42,-8.61,;43.77,-6.31,;45.09,-7.09,;45.08,-8.63,;46.41,-9.4,;46.4,-10.95,;47.72,-11.72,;47.72,-13.26,;46.43,-6.32,;46.44,-4.78,;47.76,-7.1,;49.1,-6.34,;49.11,-4.8,;50.44,-4.04,;51.83,-4.67,;52.86,-3.53,;52.1,-2.21,;52.58,-.76,;51.56,.39,;50.06,.07,;49.58,-1.38,;50.6,-2.51,;50.43,-7.12,;50.42,-8.66,;51.77,-6.36,;53.1,-7.13,;53.09,-8.67,;54.42,-9.46,;55.75,-8.69,;54.41,-11,;54.44,-6.38,;54.44,-4.84,;55.76,-7.15,;57.1,-6.39,;57.11,-4.85,;58.44,-4.09,;58.45,-2.55,;57.12,-1.77,;59.79,-1.79,;58.43,-7.17,;59.77,-6.41,;58.42,-8.71,)|

Structure: