MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005502

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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.74
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
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.74
RNO	(R)-PARA-NITROSTYRENE OXIDE	A,B,C,D	1ZMT	0.7
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
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.73
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.73
IBR		A	9EST	0.71
BEZ	BENZOIC ACID	A,B	2F8D	0.73
BEZ	BENZOIC ACID	A,B	1A8U	0.73
BEZ	BENZOIC ACID	A,B	1REE	0.73
BEZ	BENZOIC ACID	A	1L7Q	0.73
BEZ	BENZOIC ACID	A	1I69	0.73
BEZ	BENZOIC ACID	H,L	1RUL	0.73
BEZ	BENZOIC ACID	A,B	3CCF	0.73
BEZ	BENZOIC ACID	A	1W9Q	0.73
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.73
BEZ	BENZOIC ACID	H,L	1RUA	0.73
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.73
BEZ	BENZOIC ACID	H,L	1RU9	0.73
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.73
BEZ	BENZOIC ACID	A	2QMQ	0.73
BEZ	BENZOIC ACID	A	1UKB	0.73
BEZ	BENZOIC ACID	A,B	1RED	0.73
BEZ	BENZOIC ACID	A,B	1OC3	0.73
BEZ	BENZOIC ACID	A,B	1REF	0.73
BEZ	BENZOIC ACID	A,B	2O02	0.73
BEZ	BENZOIC ACID	A,B	2VJ1	0.73
BEZ	BENZOIC ACID	A,B,C	1WSP	0.73
BEZ	BENZOIC ACID	A	1HZ4	0.73
BEZ	BENZOIC ACID	A	2Q38	0.73
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.73
BEZ	BENZOIC ACID	A,B	2QL8	0.73
BEZ	BENZOIC ACID	A	2Q0I	0.73
BEZ	BENZOIC ACID	A,B	1S8F	0.73
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.73
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.73
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.73
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.73
BEZ	BENZOIC ACID	A,B	2F78	0.73
BEZ	BENZOIC ACID	A,B	2VL2	0.73
BEZ	BENZOIC ACID	A	1HD2	0.73
BEZ	BENZOIC ACID	A	1JU4	0.73
BEZ	BENZOIC ACID	H,L	2AJY	0.73
BEZ	BENZOIC ACID	A,B,C	3GV1	0.73
BEZ	BENZOIC ACID	A	2Q6U	0.73
BEZ	BENZOIC ACID	A,B	1VE9	0.73
BEZ	BENZOIC ACID	A,B	1S9A	0.73
BEZ	BENZOIC ACID	H,L,M	1OP3	0.73
BEZ	BENZOIC ACID	A	1W9E	0.73
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.73
BEZ	BENZOIC ACID	H,L	2AK1	0.73
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.73
BEZ	BENZOIC ACID	A,B	1GYX	0.73
BEZ	BENZOIC ACID	A	1V1T	0.73
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.73
BEZ	BENZOIC ACID	A,B	1HKQ	0.73
BEZ	BENZOIC ACID	H,L	1RUK	0.73
BEZ	BENZOIC ACID	A	2Q1B	0.73
BEZ	BENZOIC ACID	H,L	1RUM	0.73
BEZ	BENZOIC ACID	A,B	2F7A	0.73
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.73
BEZ	BENZOIC ACID	A,B	2V7B	0.73
BEZ	BENZOIC ACID	H	1NCW	0.73
BEZ	BENZOIC ACID	A,B	1TMX	0.73
BEZ	BENZOIC ACID	A	1URM	0.73
BEZ	BENZOIC ACID	A	1W9O	0.73
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.73
BEZ	BENZOIC ACID	H	1RUP	0.73
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.73
BEZ	BENZOIC ACID	A	2Q9R	0.73
BEZ	BENZOIC ACID	D,H	2OK6	0.73
BEZ	BENZOIC ACID	A,B	2Q0J	0.73
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.74
MTB		A,B	1SRF	0.72
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.7
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.75
NIY	META-NITRO-TYROSINE	A	2ADP	0.75
NIY	META-NITRO-TYROSINE	A	3DIV	0.75
NIY	META-NITRO-TYROSINE	A	2H5U	0.75
NIY	META-NITRO-TYROSINE	A	1K4Q	0.75
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.75
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.72
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.73
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.73
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.73
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.73
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.73
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.72
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.73
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.8
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.75
NPC	4-HYDROXY-3-NITROPHENYLACETYL-EPSILON- AMINOCAPROIC ACID ANION	H,I,J	1A6V	0.7
NPO	P-NITROPHENOL	A,B	1Z44	0.7
NPO	P-NITROPHENOL	X	2ZYW	0.7
NPO	P-NITROPHENOL	H,L	1YEK	0.7
NPO	P-NITROPHENOL	A,C,E,G	43CA	0.7
NPO	P-NITROPHENOL	A	1LS6	0.7
NPO	P-NITROPHENOL	X	2ZVP	0.7
NPO	P-NITROPHENOL	A,B	2I10	0.7
NPO	P-NITROPHENOL	A	1VAH	0.7
NPO	P-NITROPHENOL	A,B	3ETT	0.7
NPO	P-NITROPHENOL	A,B	2D20	0.7
NPO	P-NITROPHENOL	X	2ZYV	0.7
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.7
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.71
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.74
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.72
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.74
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.73
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.72
MHB		A,B	1SRG	0.76
DMB		A,B	1SRI	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.9
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.9
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.9
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.9
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
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.74
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.79
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.72
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
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.87
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.87
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.87
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID	H	1GAF	0.72
NPE	5-(PARA-NITROPHENYL PHOSPHONATE)- PENTANOIC ACID	H	1AJ7	0.72
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.79
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.74
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.93
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.72
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.84
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.84
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.84
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.84
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.84
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.79
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.77
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.78
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.84
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.84
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.84
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.84
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.84
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.84
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.84
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.84
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.84
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.84
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.84
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.77
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.77
SNO	(S)-PARA-NITROSTYRENE OXIDE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1ZO8	0.7
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.86
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.74
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
HAB		A,B	1SRE	0.76
MBO	MERCURIBENZOIC ACID	A	2QO8	0.73
MBO	MERCURIBENZOIC ACID	A	1LUG	0.73
MBO	MERCURIBENZOIC ACID	A	2HOC	0.73
MBO	MERCURIBENZOIC ACID	A	3EFI	0.73
MBO	MERCURIBENZOIC ACID	A	3BL0	0.73
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.73
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.73
MBO	MERCURIBENZOIC ACID	A	1DR7	0.73
MBO	MERCURIBENZOIC ACID	A	2HL4	0.73
MBO	MERCURIBENZOIC ACID	A	2GD8	0.73
MBO	MERCURIBENZOIC ACID	A	2QP6	0.73
MBO	MERCURIBENZOIC ACID	A	2HD6	0.73
MBO	MERCURIBENZOIC ACID	A	3C7P	0.73
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.73
MBO	MERCURIBENZOIC ACID	A	1DR6	0.73
MBO	MERCURIBENZOIC ACID	A	2HNC	0.73
MBO	MERCURIBENZOIC ACID	A	2QOA	0.73
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.76
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.85
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.77
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.74
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.73