MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02142291

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
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.71
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.71
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.74
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.72
4BQ	(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid	A	3CHQ	0.7
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1TV5	0.74
A26	2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE	A	1D3H	0.74
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
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.74
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.74
LZ6	L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine	A,B,C,D	3CSI	0.72
LZ6	L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2- chloroethyl)amino}ethyl)-L-cysteinylglycine	A,B	3CSH	0.72
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.76
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.72
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.71
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.71
CRI		A,B	1VKG	0.7
25D	2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen- 2-yl)carbonyl]-D-alanine	A,B	3DD1	0.71
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.7
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	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	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.72
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.7
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.7
G30	(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid	A	3G30	0.75
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.84
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.89
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.89
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.89
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.89
L04		A	1HFS	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.77
SU2	3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE	A,B	1AGW	0.72
CBL	CHLORAMBUCIL	A,B	3CSJ	0.73
606	(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID	A,B,C	2PIZ	0.76
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
BC1	3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID	H,Y	1LO0	0.78
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.71
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.75
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
VG0	N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide	A	2VIE	0.7
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.76
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.71
GAS		B,H	1ETZ	0.71
GAS		H	2CGR	0.71
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	0.73
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
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	0.71
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.71
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE	L	35C8	0.82
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.74
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
FEX		A	1OSH	0.76
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
UN6	(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID	A	2F70	0.71
C16	4-(4-methyl-1,3-dioxo-1,3-dihydro- 2H-isoindol-2-yl)benzonitrile	A	3BNZ	0.72
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.72
TNS		A,B,L	2G2R	0.74