MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02471939

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
1C2	3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER	A	2F6T	0.74
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID	H	1INE	0.74
EOT	[(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID	H	1IND	0.74
DOE	(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE	A,B,C,D	1NC2	0.75
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	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	0.73
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	0.71
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE	A	5TLN	0.72
CBL	CHLORAMBUCIL	A,B	3CSJ	0.78
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	0.72
002	N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE	A,B	2FV9	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.75
FEX		A	1OSH	0.7
EAL	1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE	A	1UZE	0.7
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1EQB	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1JOM	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1PJ7	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B,C,D	1DFO	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	2VMY	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A,B	1JOL	0.74
FFO	5-FORMYL-6-HYDROFOLIC ACID	A	1WOP	0.74
C47	METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE	C,O	2V16	0.7
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.71
ENT	3(R)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT- BUTYL ESTER	A	2F6Y	0.74
4DP	3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE	C	2IPK	0.73
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.71
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL5	0.73
DHF	DIHYDROFOLIC ACID	A	1LCB	0.73
DHF	DIHYDROFOLIC ACID	A,B,C,D	1MXH	0.73
DHF	DIHYDROFOLIC ACID	A	2RK1	0.73
DHF	DIHYDROFOLIC ACID	A	1RF7	0.73
DHF	DIHYDROFOLIC ACID	A,B,C,D,E	3DL6	0.73
DHF	DIHYDROFOLIC ACID	A	1TYS	0.73