MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01792054

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
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX6	0.72
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX5	0.72
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX4	0.72
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A,B	1DYJ	0.72
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RC4	0.72
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	1SLN	0.71
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	2SRT	0.71
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	3BG8	0.71
GF7	(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid	A	3GQZ	0.7
D16	TOMUDEX	A,B	1I00	0.74
D16	TOMUDEX	A,B	2KCE	0.74
D16	TOMUDEX	A,B,C,D	2TSR	0.74
D16	TOMUDEX	A,B,C,D	1HVY	0.74
D16	TOMUDEX	A,B	1RTS	0.74
BIT	(-)-1-PHENYL-1,2,3,4-TETRAHYDRO- 4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN- 4-ONE	A	1YV3	0.7
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
MEF	N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid	A	3BGX	0.78
BL6	(3aS)-3a-hydroxy-7-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one	A	3BZ8	0.71
BL7	(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one	A	3BZ9	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.77
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.77
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.76
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.76
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	X	2IJG	0.78
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	2J4D	0.78
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	1DNP	0.78
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.75
BW2	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID	A,B,C,D	1PL0	0.73
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.73
MAQ	2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE	A	1S38	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.79
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.79
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
FRM	2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE	A,B	1UK0	0.72
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