Ki Summary

Reaction Details

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Target

Cytochrome P450 3A4

Ligand

BDBM50538098

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1972164 (CHEMBL4604982)

IC50

>25000±n/a nM

Citation

Liu, YA; Jin, Q; Zou, Y; Ding, Q; Yan, S; Wang, Z; Hao, X; Nguyen, B; Zhang, X; Pan, J; Mo, T; Jacobsen, K; Lam, T; Wu, TY; Petrassi, HM; Bursulaya, B; DiDonato, M; Gordon, WP; Liu, B; Baaten, J; Hill, R; Nguyen-Tran, V; Qiu, M; Zhang, YQ; Kamireddy, A; Espinola, S; Deaton, L; Ha, S; Harb, G; Jia, Y; Li, J; Shen, W; Schumacher, AM; Colman, K; Glynne, R; Pan, S; McNamara, P; Laffitte, B; Meeusen, S; Molteni, V; Loren, J Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133. J Med Chem63:2958-2973 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cytochrome P450 3A4

Name:

Cytochrome P450 3A4

Synonyms:

Type:

Enzyme

Mol. Mass.:

57349.57

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

503

Sequence:

MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA

BDBM50538098

n/a

Name

BDBM50538098

Synonyms:

CHEMBL4640031

Type

Small organic molecule

Emp. Form.

C26H33N5O3

Mol. Mass.

463.5719

SMILES

C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)|

Structure