MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02130760

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
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.74
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.74
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.82
MRA	2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]- 3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE	A	2P55	0.7
XXZ	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE	A,B	3E65	0.75
675	6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE	A	1OWE	0.72
APQ	2,6-DIAMINO-8-PROPYLSULFANYLMETHYL- 3H-QUINAZOLINE-4-ONE	A	1K4H	0.84
MAQ	2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE	A	1S38	0.89
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.78
SY1	2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE	A,B,C,D	2ONC	0.79
FRM	2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE	A,B	1UK0	0.81
KMB	2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL- 3H-QUINAZOLIN-4-ONE	A	1Q66	0.83
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.71
LFN	LUMIFLAVIN	A	2CCC	0.71
155	6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE	A	1OWJ	0.72
NHS	10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID	A,B	1C2T	0.75
TTT	5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide	A	3E9S	0.72
239	6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE	A	1OWH	0.7
XX4	3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE	A,B,C	2Q11	0.85
BW2	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID	A,B,C,D	1PL0	0.7
BHB	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE	A	1Q65	0.81
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.91
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	0.7
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	0.7
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.75
38M	3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one	A	3F9N	0.7
PFG	10-PARPARGYL-5,8-DIDEAZAFOLATE- 4-GLUTAMIC ACID	A,B	2BBQ	0.72
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.73
FRQ	5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE	A,B	1UK1	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	1KZI	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7Z	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3BHR	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3GSI	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7V	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	3BHL	0.71
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1U22	0.71
4AN	6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE	A	2PAX	0.73
TC8	3-(2,6-difluorophenyl)-2-(methylthio)quinazolin- 4(3H)-one	A	3G3N	0.8