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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02361581

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AQQUINOLIN-2-AMINEA2OHL0.72
2MI2-METHYL-1H-INDOLEA2PIO0.86
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.76
5MP5-METHYLPYRROLEA1LI60.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.77
INDINDOLEA1L4H0.77
INDINDOLEA,B,G1O7N0.77
INDINDOLEA185L0.77
INDINDOLEA,B1EG90.77
INDINDOLEA,B1UUV0.77
INDINDOLEA,C,E2B240.77
INDINDOLEA,B,C,D,E,F2P850.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.76
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.77
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.71
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.78
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.71
THATACRINEA,B2AOW0.73
THATACRINEA,B,C,D,E,F1MX10.73
THATACRINEA,B2AOX0.73
THATACRINEA1ACJ0.73
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.76
2862-ethenyl-1-methylpyridiniumX2RC20.7
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.74
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.8