MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03024192

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
UC4	1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE	A	1RT7	0.7
RBE	3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID	H	1RIU	0.71
RNO	(R)-PARA-NITROSTYRENE OXIDE	A,B,C,D	1ZMT	0.7
KYN	KYNURENINE	A,B,C,D	2R2N	0.71
KYN	KYNURENINE	A,B	3E2Z	0.71
KYN	KYNURENINE	A	1XT7	0.71
KYN	KYNURENINE	A	1T5M	0.71
KYN	KYNURENINE	A	1T5N	0.71
KYN	KYNURENINE	A	2VOV	0.71
KYN	KYNURENINE	A	2VOX	0.71
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.73
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.7
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.74
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.74
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.75
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.8
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.8
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.79
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.81
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.81
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.81
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.81
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.71
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
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.73
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.73
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.72
IBR		A	9EST	0.8
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.87
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.87
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.87
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.87
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.87
AAF	METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE	B	2G63	0.74
HAB		A,B	1SRE	0.7
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.8
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.8
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.8
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.8
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.8
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.8
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.8
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.74
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.79
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3F06	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZP	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	3EW8	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A,B	3EZT	0.7
B3N	4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE	A	1T67	0.7
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.77
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.73
RA2	1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE	A	1B9V	0.71
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.71
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.8
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.77
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.77
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.77
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.77
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.76
UC3	1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE	A	1RT6	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.84
SNO	(S)-PARA-NITROSTYRENE OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1ZO8	0.7
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.81
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.81
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.81
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.78
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
IBA	4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID	A	1VCJ	0.71
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.74
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.74
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.76