MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01866140

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	0.77
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX5	0.77
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RX4	0.77
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A,B	1DYJ	0.77
DDF	5,10-DIDEAZATETRAHYDROFOLIC ACID	A	1RC4	0.77
DIZ	(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)- 7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO- 4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID	A,B	1T4E	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
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.71
DBZ	3-(BENZOYLAMINO)-L-ALANINE	A,B,C,D	1SN9	0.71
DBZ	3-(BENZOYLAMINO)-L-ALANINE	A,B	1SNE	0.71
DBZ	3-(BENZOYLAMINO)-L-ALANINE	A,B,C,D	1SNA	0.71
DBZ	3-(BENZOYLAMINO)-L-ALANINE	A,B	1XOF	0.71
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL5	0.8
DHF	DIHYDROFOLIC ACID	A	1LCB	0.8
DHF	DIHYDROFOLIC ACID	A,B,C,D	1MXH	0.8
DHF	DIHYDROFOLIC ACID	A	2RK1	0.8
DHF	DIHYDROFOLIC ACID	A	1RF7	0.8
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL6	0.8
DHF	DIHYDROFOLIC ACID	A	1TYS	0.8
989	2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID	A	1NL9	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.81
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.81
DZF	5-DEAZAFOLIC ACID	A,B	2DHF	0.7
DZF	5-DEAZAFOLIC ACID	A,B	1DYH	0.7
DZF	5-DEAZAFOLIC ACID	A,B,C,D	1CDE	0.7
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.75
BL5		A,B	1RL4	0.7
23I	N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL- 5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]- 2-METHYLPROPYL}AMINO)-4-METHYL- 5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]- N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE	A,B,C,D	2P4J	0.72
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.79
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	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
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.7
588	2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID	A	1ONY	0.71
B22	[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)- 2-OXOETHYL]IMINO}DIACETATO(2-)- KAPPAO]COPPER	A	2FOU	0.71
901	2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID	A	1NZ7	0.7
BW2	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID	A,B,C,D	1PL0	0.77
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.78
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.78