MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00401395

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
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	0.74
FEX		A	1OSH	0.75
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.74
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	0.73
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	0.73
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.72
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	0.73
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.72
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.85
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.78
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.78
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.78
CRI		A,B	1VKG	0.7
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.71
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.72
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.7
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.7
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.7
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.79
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.74
L04		A	1HFS	0.73
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.71
CBL	CHLORAMBUCIL	A,B	3CSJ	0.73
TSN	TRICHOSTATIN A	A,B	1T64	0.71
TSN	TRICHOSTATIN A	A,B	1C3R	0.71
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.71
TSN	TRICHOSTATIN A	A,B,C	3C10	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.72
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.72
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	0.73
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.79
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	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.75
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	0.77
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.88
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.88
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.88
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.88
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.71
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EKO	0.73
I84	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE	A	1EL3	0.73
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE	L	35C8	0.81
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.71
606	(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PIZ	0.75
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.76
BC1	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID	H,Y	1LO0	0.75
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.73
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.73
FEN	N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE	A	1FEL	0.72
25D	2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-D-alanine	A,B	3DD1	0.7
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.74
TNS		A,B,L	2G2R	0.73
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	1SLN	0.73
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	2SRT	0.73
INH	N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE	A	3BG8	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.73
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.7
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
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72
LGG	N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL- L-GLUTAMINYL-N-[(1S)-4-AMINO-1- (2-CARBOXYETHYL)-4-OXOBUTYL]-L- LEUCINAMIDE	A,B	2IPH	0.7
LZ6	L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine	A,B,C,D	3CSI	0.71
LZ6	L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine	A,B	3CSH	0.71
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.71