MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01944601

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
XXZ	1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE	A,B	3E65	0.78
MC2	N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)- L-ARIGNINAMIDE	A	1T9Y	0.74
529	(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL- 3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN- 1-YL)PHENYL]PROPANAMIDE	A,C,D	2BPM	0.7
FRQ	5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE	A,B	1UK1	0.75
RBF	RIBOFLAVINE	B,D,F,H	2FL5	0.7
RBF	RIBOFLAVINE	A	2CC8	0.7
RBF	RIBOFLAVINE	A,B	1PKV	0.7
RBF	RIBOFLAVINE	A,B	1T6Z	0.7
RBF	RIBOFLAVINE	A	2VX9	0.7
RBF	RIBOFLAVINE	A,B,C,D,E	1KYV	0.7
RBF	RIBOFLAVINE	A	1MOG	0.7
RBF	RIBOFLAVINE	A,B,C,D,E,F, G,H,I,J,K,L	2VXA	0.7
RBF	RIBOFLAVINE	A,B	1L5R	0.7
RBF	RIBOFLAVINE	A,B	1HZE	0.7
RBF	RIBOFLAVINE	A,B,C,D,E	2A58	0.7
RBF	RIBOFLAVINE	A,B	1BU5	0.7
RBF	RIBOFLAVINE	X,Y	3F4G	0.7
RBF	RIBOFLAVINE	A	1NB9	0.7
RBF	RIBOFLAVINE	A,B	1I18	0.7
RBF	RIBOFLAVINE	A	3DDY	0.7
RBF	RIBOFLAVINE	A	2CCB	0.7
239	6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE	A	1OWH	0.71
303	6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE	A	1OWK	0.7
CF4	[4-(7,8-dimethyl-2,4-dioxo-3,4- dihydrobenzo[g]pteridin-10(2H)- yl)butyl]carbamic acid	A	2VKG	0.78
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.71
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1KCE	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1NCE	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F	1KZJ	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	X	2FTO	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TRG	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2TSC	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVU	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVV	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1FWM	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1BQ1	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL5	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AIQ	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DDU	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	1QZF	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1TDU	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZE	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8M	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	2OIP	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1CI7	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1DNA	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1LCA	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1VZD	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1ZPR	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2AAZ	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	2G8O	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A	1TVW	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D,E	3DL6	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B	1AN5	0.7
CB3	10-PROPARGYL-5,8-DIDEAZAFOLIC ACID	A,B,C,D	2BFA	0.7
BHB	2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)- 3H-QUINAZOLIN-4-ONE	A	1Q65	0.72
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.71
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.74
MAQ	2-AMINO-8-METHYLQUINAZOLIN-4(3H)- ONE	A	1S38	0.73
FRM	2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE	A,B	1UK0	0.76
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	1KZI	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7Z	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3BHR	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	3GSI	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1M7V	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A,B	3BHL	0.7
THG	(6S)-5,6,7,8-TETRAHYDROFOLATE	A	1U22	0.7
AQO	2-AMINOQUINAZOLIN-4(3H)-ONE	A	1S39	0.71
GAS		B,H	1ETZ	0.72
GAS		H	2CGR	0.72
AZQ	AZAPROPAZONE	A	2BXK	0.71
AZQ	AZAPROPAZONE	A	2BXI	0.71
AZQ	AZAPROPAZONE	A,B	2BX8	0.71
DQB	4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID	A	1ZLY	0.75
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
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.76
XX4	3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE	A,B,C	2Q11	0.77
1A2	5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE	A,B	3E6T	0.74
SII	N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide	A	3FKT	0.73
LFN	LUMIFLAVIN	A	2CCC	0.79
GIN	2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE	A,B	2HZ0	0.73
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
CRI		A,B	1VKG	0.71
SN8	1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM- 4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM	A,B	1ZPH	0.73
SY1	2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE	A,B,C,D	2ONC	0.78
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.72
AN9	1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE	A,B	1XCU	0.73
L86	(11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19- DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17- BENZOHEXAAZACYCLOHENICOSINE-3,24- DIONE	A,B	1NM6	0.7
155	6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE	A	1OWJ	0.75
497	6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE	A	1OWD	0.71
AGB	N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA	A	1EJN	0.74