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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01797644

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
D16TOMUDEXA,B1I000.75
D16TOMUDEXA,B2KCE0.75
D16TOMUDEXA,B,C,D2TSR0.75
D16TOMUDEXA,B,C,D1HVY0.75
D16TOMUDEXA,B1RTS0.75
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.72
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.75
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.82
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
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A,B1BCS0.75
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE
A1SGC0.75
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.82
DHFDIHYDROFOLIC ACIDA1LCB0.82
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.82
DHFDIHYDROFOLIC ACIDA2RK10.82
DHFDIHYDROFOLIC ACIDA1RF70.82
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.82
DHFDIHYDROFOLIC ACIDA1TYS0.82
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.7
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,C2FMN0.7
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.79
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.83
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.79
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.79
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.79
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.79
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.79
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.72
CF4[4-(7,8-dimethyl-2,4-dioxo-3,4-
dihydrobenzo[g]pteridin-10(2H)-
yl)butyl]carbamic acid
A2VKG0.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.77
CHYCHYMOSTATINA,B1M210.73
CHYCHYMOSTATINA,B1WVM0.73
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.7