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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02409468

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.73
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.72
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.72
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.82
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.89
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.89
4HFN-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-
HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-
6-YL]ETHYL}-2-THIENYL)CARBONYL]-
L-GLUTAMIC ACID		A,B,C2FMN0.73
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.91
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.91
CRIA,B1VKG0.7
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.71
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.7
CHYCHYMOSTATINA,B1M210.7
CHYCHYMOSTATINA,B1WVM0.7
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.81
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.72
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.7
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.71
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.89
DHFDIHYDROFOLIC ACIDA1LCB0.89
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.89
DHFDIHYDROFOLIC ACIDA2RK10.89
DHFDIHYDROFOLIC ACIDA1RF70.89
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.89
DHFDIHYDROFOLIC ACIDA1TYS0.89
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.7
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.73