MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01667207

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
RA2	1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9V	0.72
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1BJG	0.74
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1JBW	0.74
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1LCE	0.74
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL5	0.71
DHF	DIHYDROFOLIC ACID	A	1LCB	0.71
DHF	DIHYDROFOLIC ACID	A,B,C,D	1MXH	0.71
DHF	DIHYDROFOLIC ACID	A	2RK1	0.71
DHF	DIHYDROFOLIC ACID	A	1RF7	0.71
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL6	0.71
DHF	DIHYDROFOLIC ACID	A	1TYS	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.73
BL4	(3aS)-3a-hydroxy-5-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one	A	3BZ7	0.74
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	X	2IJG	0.75
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	2J4D	0.75
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	1DNP	0.75
XIN	methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate	A	3C7Q	0.72
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.73
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.73
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	1KZI	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7Z	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3BHR	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3GSI	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7V	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	3BHL	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1U22	0.72
BL6	(3aS)-3a-hydroxy-7-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one	A	3BZ8	0.76
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.72
THL	N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID	A	3G5R	0.71
THL	N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8- HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]- L-GLUTAMIC ACID	A	1WOO	0.71
IBA	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID	A	1VCJ	0.72
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.76
D16	TOMUDEX	A,B	1I00	0.7
D16	TOMUDEX	A,B	2KCE	0.7
D16	TOMUDEX	A,B,C,D	2TSR	0.7
D16	TOMUDEX	A,B,C,D	1HVY	0.7
D16	TOMUDEX	A,B	1RTS	0.7
PFG	10-PARPARGYL-5,8-DIDEAZAFOLATE- 4-GLUTAMIC ACID	A,B	2BBQ	0.71
BIT	(-)-1-PHENYL-1,2,3,4-TETRAHYDRO- 4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN- 4-ONE	A	1YV3	0.75
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.71
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.71
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	0.75
FON	FOLINIC ACID	A,B	1QD1	0.71
FON	FOLINIC ACID	A,B	2BLN	0.71
FON	FOLINIC ACID	A,B,C,D	1VRQ	0.71
FON	FOLINIC ACID	A,B	1KL2	0.71
FON	FOLINIC ACID	A,B	1XZQ	0.71
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.71
BL7	(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one	A	3BZ9	0.73
NHS	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID	A,B	1C2T	0.74
989	2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID	A	1NL9	0.72
RAI	1-(4-CARBOXY-2-GUANIDINOPENTYL)- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9T	0.71
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.7
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.71
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A,B,C,D	1EJI	0.71
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A	1U3G	0.71
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A	2TDD	0.71
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	0.75
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	1SYN	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	2VF0	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,C,D,E	1SEJ	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,C,D	1F28	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	1TLC	0.75