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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865201

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.71
D16TOMUDEXA,B1I000.75
D16TOMUDEXA,B2KCE0.75
D16TOMUDEXA,B,C,D2TSR0.75
D16TOMUDEXA,B,C,D1HVY0.75
D16TOMUDEXA,B1RTS0.75
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE		A,C,D2BPM0.7
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
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.83
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
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,C2FMN0.72
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.72
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.86
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.86
DZF5-DEAZAFOLIC ACIDA,B2DHF0.78
DZF5-DEAZAFOLIC ACIDA,B1DYH0.78
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.78
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.72
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
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.76
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.72
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.78
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
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID		H1INE0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID		H1IND0.71
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
AVF1-{2-[3-(2-Chloro-4,5-difluoro-
benzoyl)-ureido]-4-fluoro-phenyl}-
piperidine-4-carboxylic acid		A,B3CEJ0.7