MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465471

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
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
NIY	META-NITRO-TYROSINE	A	2ADP	0.74
NIY	META-NITRO-TYROSINE	A	3DIV	0.74
NIY	META-NITRO-TYROSINE	A	2H5U	0.74
NIY	META-NITRO-TYROSINE	A	1K4Q	0.74
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.73
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.73
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.7
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.73
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.76
FBC		A,B	2B9A	0.71
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.72
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.71
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.73
MTB		A,B	1SRF	0.77
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.73
DMB		A,B	1SRI	0.78
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
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.7
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.72
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.73
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.81
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.76
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.76
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.7
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.7
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.7
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.71
26C		A,B	2F7I	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.7
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.7
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.7
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.71
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.73
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.75
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.74
HAB		A,B	1SRE	0.78
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.72
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.8
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.72
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.71
NAB		A,B	1SRJ	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
4FC		A	1YSG	0.72
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.75
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.81
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.74
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.74
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.74
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.76
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.7
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.84
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.71
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.78
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.74
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.75
MHB		A,B	1SRG	0.77
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.74
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.73
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.72
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.71
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.8
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.8
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.8
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.72
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.76