MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00908567

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.78
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.78
38M	3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one	A	3F9N	0.8
FON	FOLINIC ACID	A,B	1QD1	0.77
FON	FOLINIC ACID	A,B	2BLN	0.77
FON	FOLINIC ACID	A,B,C,D	1VRQ	0.77
FON	FOLINIC ACID	A,B	1KL2	0.77
FON	FOLINIC ACID	A,B	1XZQ	0.77
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.83
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.71
D16	TOMUDEX	A,B	1I00	0.77
D16	TOMUDEX	A,B	2KCE	0.77
D16	TOMUDEX	A,B,C,D	2TSR	0.77
D16	TOMUDEX	A,B,C,D	1HVY	0.77
D16	TOMUDEX	A,B	1RTS	0.77
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.71
26B	O-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-L-threonine	A,B	3DDS	0.72
APQ	2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE	A	1K4H	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.7
FRM	2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE	A,B	1UK0	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.8
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.8
BW2	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID	A,B,C,D	1PL0	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.75
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1TSD	0.74
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1SYN	0.74
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	2VF0	0.74
F89	S)-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,E	1SEJ	0.74
F89	S)-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	1F28	0.74
F89	S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID	A,B	1TLC	0.74
901	2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID	A	1NZ7	0.72
BHB	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE	A	1Q65	0.76
FRQ	5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE	A,B	1UK1	0.71
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.74
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL5	0.75
DHF	DIHYDROFOLIC ACID	A	1LCB	0.75
DHF	DIHYDROFOLIC ACID	A,B,C,D	1MXH	0.75
DHF	DIHYDROFOLIC ACID	A	2RK1	0.75
DHF	DIHYDROFOLIC ACID	A	1RF7	0.75
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL6	0.75
DHF	DIHYDROFOLIC ACID	A	1TYS	0.75