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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01793898

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
D16TOMUDEXA,B1I000.73
D16TOMUDEXA,B2KCE0.73
D16TOMUDEXA,B,C,D2TSR0.73
D16TOMUDEXA,B,C,D1HVY0.73
D16TOMUDEXA,B1RTS0.73
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.8
FONFOLINIC ACIDA,B1QD10.78
FONFOLINIC ACIDA,B2BLN0.78
FONFOLINIC ACIDA,B,C,D1VRQ0.78
FONFOLINIC ACIDA,B1KL20.78
FONFOLINIC ACIDA,B1XZQ0.78
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.74
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.79
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL50.77
DHFDIHYDROFOLIC ACIDA1LCB0.77
DHFDIHYDROFOLIC ACIDA,B,C,D1MXH0.77
DHFDIHYDROFOLIC ACIDA2RK10.77
DHFDIHYDROFOLIC ACIDA1RF70.77
DHFDIHYDROFOLIC ACIDA,B,C,D,E3DL60.77
DHFDIHYDROFOLIC ACIDA1TYS0.77
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.75
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.8
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.8
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.79
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.79
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.77
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.72
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TSD0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1SYN0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B2VF00.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B,C,D,E1SEJ0.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B,C,D1F280.73
F89S)-2-(5(((1,2-DIHYDRO-3-METHYL-
1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-
OXO-2-ISOINDOLINYL)GLUTARIC ACID
A,B1TLC0.73
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.77