MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00124137

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
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.75
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.76
HAB		A,B	1SRE	0.73
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.76
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.75
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.75
UC3	1-METHYL ETHYL 2-CHLORO-5-[[[(1- METHYLETHOXY)THIOOXO]METHYL]AMINO]- BENZOATE	A	1RT6	0.73
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
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.75
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.73
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	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	0.75
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.75
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.73
IBR		A	9EST	0.79
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.71
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	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
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
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.74
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.72
MHB		A,B	1SRG	0.71
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.77
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.77
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.77
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.77
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.77
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.77
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.74
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.71
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.73
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.78
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.78
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.78
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.74
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
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.73
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.78
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
RXC	(1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate	A,B,C,D	3DEJ	0.71
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
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.71
FDN	(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)- 5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE	C,D,E	2FYU	0.72
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.81