MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01438999

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
TGF	2-[4-(4-{4-[(2-AMINO-5-FORMYL-4- OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN- 6-YLMETHYL)-AMINO]-BENZOYLAMINO}- 4-CARBOXY-BUTYRYLAMINO)-4-CARBOXY- BUTYRYLAMINO]-PENTANEDIOIC ACID	A,B,C,D	1LS3	0.73
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A,B,C,D	1EJI	0.74
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A	1U3G	0.74
THF	5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID	A	2TDD	0.74
KMB	2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE	A	1Q66	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.75
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.75
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	X	2IJG	0.73
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	2J4D	0.73
MHF	5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID	A,B	1DNP	0.73
XXZ	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE	A,B	3E65	0.72
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.7
XX4	3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE	A,B,C	2Q11	0.79
FON	FOLINIC ACID	A,B	1QD1	0.75
FON	FOLINIC ACID	A,B	2BLN	0.75
FON	FOLINIC ACID	A,B,C,D	1VRQ	0.75
FON	FOLINIC ACID	A,B	1KL2	0.75
FON	FOLINIC ACID	A,B	1XZQ	0.75
RA4	N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE	H,I	1YPM	0.82
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1XI2	0.75
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1ZX1	0.75
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1IDT	0.75
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	2BZS	0.75
BAN	HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE	A	5TLN	0.74
BHB	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE	A	1Q65	0.72
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	0.73
MC2	N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE	A	1T9Y	0.7
SN2	5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4- DINTRO-BENZAMIDE	A,B	1OO6	0.73
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.74
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
BEL	2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]- N-(2',3'-DIOXOPROPYL)BENZAMIDE	A,B	1OON	0.75
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	0.75
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	0.75
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.76
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.76
FRM	2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE	A,B	1UK0	0.75
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.72
NHS	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID	A,B	1C2T	0.73
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.7
MAQ	2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE	A	1S38	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	3GEY	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	3CE0	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B	1XK9	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A	2Q6M	0.71
P34	N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE	A,B,C,D,E,F	1ZM9	0.71
SY1	2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE	A,B,C,D	2ONC	0.78
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1BJG	0.71
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1JBW	0.71
TMF	5,10-METHYLENE-6-HYDROFOLIC ACID	A	1LCE	0.71
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.77
PFG	10-PARPARGYL-5,8-DIDEAZAFOLATE- 4-GLUTAMIC ACID	A,B	2BBQ	0.72
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	1KZI	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7Z	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3BHR	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3GSI	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7V	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	3BHL	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1U22	0.76
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