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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331579

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE		A1Q650.73
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.75
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.7
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.7
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE		A1K4H0.72
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
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.85
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.85
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.83
DHFDIHYDROFOLIC ACIDA1LCB0.83
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.83
DHFDIHYDROFOLIC ACIDA2RK10.83
DHFDIHYDROFOLIC ACIDA1RF70.83
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.83
DHFDIHYDROFOLIC ACIDA1TYS0.83
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one		A3F9N0.71
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid		A2ZDU0.71
D16TOMUDEXA,B1I000.77
D16TOMUDEXA,B2KCE0.77
D16TOMUDEXA,B,C,D2TSR0.77
D16TOMUDEXA,B,C,D1HVY0.77
D16TOMUDEXA,B1RTS0.77
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.72
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID		A,B,C,D1PL00.79
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid		A,B3DDW0.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.73
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.73
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.75
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid		A2VKG0.71
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.76
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.76
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.73