MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01529077

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
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.74
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.71
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.82
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.82
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.72
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.72
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.79
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.79
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.79
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.79
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.79
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.71
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.74
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.76
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1XI2	0.72
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1ZX1	0.72
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	1IDT	0.72
CB1	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	A,B	2BZS	0.72
GF7	(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid	A	3GQZ	0.72
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.8
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.8
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.8
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
AAH		H	1KEL	0.71
AAH		B,H	1FL6	0.71
MTB		A,B	1SRF	0.73
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.81
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.81
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.77
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.76
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.7
IBA	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID	A	1VCJ	0.72
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.78
588	2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID	A	1ONY	0.7
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.76
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.72
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.71
IPC	3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID	A	1YVX	0.7
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.75
452	2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID	A,B	2QE2	0.72
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.74
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A	1AMN	0.73
NAF	M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE	A,B	2H9Y	0.73
989	2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID	A	1NL9	0.71
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.79
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	0.73
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.72
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
GG1	4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP- 1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN- 3(2H)-YL]METHYL}BENZOIC ACID	A,B,C,D,E,F, G,H	2OZR	0.71
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.72
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.77
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.77
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.77
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.77
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.73
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.73
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.72
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.75
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.77
RA2	1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9V	0.71
DMB		A,B	1SRI	0.76
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.7
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	P	1JCM	0.74
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBM	0.74
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBL	0.74
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBF	0.74
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.82
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.82
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.82
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.76
MHB		A,B	1SRG	0.77
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.73
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.73
HAB		A,B	1SRE	0.76
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.88
NIY	META-NITRO-TYROSINE	A	2ADP	0.71
NIY	META-NITRO-TYROSINE	A	3DIV	0.71
NIY	META-NITRO-TYROSINE	A	2H5U	0.71
NIY	META-NITRO-TYROSINE	A	1K4Q	0.71
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.75
TNS		A,B,L	2G2R	0.74