MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019670

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
RBE	3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID	H	1RIU	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.76
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.73
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
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	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
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.73
IBR		A	9EST	0.8
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	0.7
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	0.7
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
RNO	(R)-PARA-NITROSTYRENE OXIDE	A,B,C,D	1ZMT	0.73
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
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.74
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.74
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.74
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.74
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.74
MHB		A,B	1SRG	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.79
AAF	METHYL 4-{[({[(2R,5S)-5-{[(2S)- 2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN- 2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE	B	2G63	0.73
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.78
UC3	1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE	A	1RT6	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.77
UC4	1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE	A	1RT7	0.71
SNO	(S)-PARA-NITROSTYRENE OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1ZO8	0.73
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.83
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.77
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.75
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.71
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
DMB		A,B	1SRI	0.71
KYN	KYNURENINE	A,B,C,D	2R2N	0.72
KYN	KYNURENINE	A,B	3E2Z	0.72
KYN	KYNURENINE	A	1XT7	0.72
KYN	KYNURENINE	A	1T5M	0.72
KYN	KYNURENINE	A	1T5N	0.72
KYN	KYNURENINE	A	2VOV	0.72
KYN	KYNURENINE	A	2VOX	0.72
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.76
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.84
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
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	0.7
HAB		A,B	1SRE	0.71
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
RXB	(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate	A,B,C,D	3DEI	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
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73