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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02497883

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
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
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,C2FMN0.84
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.71
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1EQB0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1JOM0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1PJ70.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B,C,D1DFO0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B2VMY0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA,B1JOL0.8
FFO5-FORMYL-6-HYDROFOLIC ACIDA1WOP0.8
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
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
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX60.96
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX50.96
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RX40.96
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA,B1DYJ0.96
DDF5,10-DIDEAZATETRAHYDROFOLIC ACIDA1RC40.96
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.71
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.71
BGDN-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-
L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-
METHYL)]-L-PHENYLALANINEAMIDE
A,B,C,D1LQF0.71
AIPANTIPAINA,B1BCR0.7
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
CHYCHYMOSTATINA,B1M210.73
CHYCHYMOSTATINA,B1WVM0.73
D16TOMUDEXA,B1I000.71
D16TOMUDEXA,B2KCE0.71
D16TOMUDEXA,B,C,D2TSR0.71
D16TOMUDEXA,B,C,D1HVY0.71
D16TOMUDEXA,B1RTS0.71
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
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.77
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.77
FONFOLINIC ACIDA,B1QD10.82
FONFOLINIC ACIDA,B2BLN0.82
FONFOLINIC ACIDA,B,C,D1VRQ0.82
FONFOLINIC ACIDA,B1KL20.82
FONFOLINIC ACIDA,B1XZQ0.82