MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00371929

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
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.73
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.74
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.83
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.83
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.77
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.73
RAI	1-(4-CARBOXY-2-GUANIDINOPENTYL)- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9T	0.73
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.7
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.79
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.77
IBA	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID	A	1VCJ	0.74
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	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	0.73
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
AAF	METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE	B	2G63	0.72
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.76
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.76
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.76
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.73
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.76
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	1UB5	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,B,H,L	3CFB	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	B,H	3CFD	0.7
SPB	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID	A,L	1FL3	0.7
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.83
NIY	META-NITRO-TYROSINE	A	2ADP	0.72
NIY	META-NITRO-TYROSINE	A	3DIV	0.72
NIY	META-NITRO-TYROSINE	A	2H5U	0.72
NIY	META-NITRO-TYROSINE	A	1K4Q	0.72
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.83
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.73
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
CLC	N-ACETYL-P-NITROPHENYLSERINOL	A	1GRR	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.81
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.81
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.81
RA2	1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9V	0.74
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.72
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.71
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.75
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.73
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	A,L	1YED	0.72
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	H,L	1YEC	0.72
PNB	4-NITRO-BENZYLPHOSPHONOBUTANOYL- GLYCINE	H	1YEE	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
KYN	KYNURENINE	A,B,C,D	2R2N	0.7
KYN	KYNURENINE	A,B	3E2Z	0.7
KYN	KYNURENINE	A	1XT7	0.7
KYN	KYNURENINE	A	1T5M	0.7
KYN	KYNURENINE	A	1T5N	0.7
KYN	KYNURENINE	A	2VOV	0.7
KYN	KYNURENINE	A	2VOX	0.7
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.8
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.78
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	P	1JCM	0.73
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBM	0.73
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBL	0.73
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBF	0.73
NIP	4-HYDROXY-5-IODO-3-NITROPHENYLACETYL- EPSILON-AMINOCAPROIC ACID ANION	H	1A6W	0.71
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.74
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.84
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.74
NOX	N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE	L	35C8	0.71
PNC	PARA-NITROBENZYL GLUTARYL GLYCINIC ACID	L	1YEF	0.71
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.74
TSN	TRICHOSTATIN A	A,B	1T64	0.72
TSN	TRICHOSTATIN A	A,B	1C3R	0.72
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.72
TSN	TRICHOSTATIN A	A,B,C	3C10	0.72
AAH		H	1KEL	0.7
AAH		B,H	1FL6	0.7
452	2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID	A,B	2QE2	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.87
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.87
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.87
TNS		A,B,L	2G2R	0.73
679	2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID	A,B	1Q4L	0.71
L98	(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)- 3-SULFANYLPROPANOIC ACID	A,B,C	1ZG8	0.71
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.71
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.83
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.75
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.75
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.75
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.75
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.75
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.75
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.74
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.74
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.74
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.74
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.74
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.84
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.84
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.84
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.84
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.77
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.79
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.74
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.71
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.79