MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00506394

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
L04		A	1HFS	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.75
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.72
FEX		A	1OSH	0.73
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	1SLN	0.71
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	2SRT	0.71
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	3BG8	0.71
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.71
HAZ	4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO- 1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN- 4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}- BUTYRIC ACID	H,L	1CF8	0.73
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.7
CBL	CHLORAMBUCIL	A,B	3CSJ	0.7
FRA	[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO- 4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC- 1-YLCARBAMOYLOXY]-ACETIC ACID	A,B,H,L	1A4K	0.71
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE	L	35C8	0.78
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.85
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.85
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.85
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.85
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.71
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	4LBD	0.72
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.72
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EKO	0.71
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EL3	0.71
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.7
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.81
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.72
606	(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PIZ	0.73
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.76
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.72
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.72
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.72
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.72
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.72
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
BC1	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID	H,Y	1LO0	0.75
TNS		A,B,L	2G2R	0.73
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	0.74
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.71
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
U02	[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY- 2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL- METHYL}-PHENYLCARBAMOYL)-ETHYL]- CARBAMIC ACID TERT-BUTYL ESTER	A	2UPJ	0.71
394	R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXA	0.72
486	11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE	A	1NHZ	0.71
486	11-(4-DIMETHYLAMINO-PHENYL)-17- HYDROXY-13-METHYL-17-PROP-1-YNYL- 1,2,6,7,8,11,12,13,14,15,16,17- DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN- 3-ONE	A,B	2W8Y	0.71
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.77
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2W98	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A,B	2BXC	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXP	0.7
P1Z	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE	A	2BXQ	0.7