MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02277277

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
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
FBC		A,B	2B9A	0.87
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.91
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
MBO	MERCURIBENZOIC ACID	A	2QO8	0.76
MBO	MERCURIBENZOIC ACID	A	1LUG	0.76
MBO	MERCURIBENZOIC ACID	A	2HOC	0.76
MBO	MERCURIBENZOIC ACID	A	3EFI	0.76
MBO	MERCURIBENZOIC ACID	A	3BL0	0.76
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.76
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.76
MBO	MERCURIBENZOIC ACID	A	1DR7	0.76
MBO	MERCURIBENZOIC ACID	A	2HL4	0.76
MBO	MERCURIBENZOIC ACID	A	2GD8	0.76
MBO	MERCURIBENZOIC ACID	A	2QP6	0.76
MBO	MERCURIBENZOIC ACID	A	2HD6	0.76
MBO	MERCURIBENZOIC ACID	A	3C7P	0.76
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.76
MBO	MERCURIBENZOIC ACID	A	1DR6	0.76
MBO	MERCURIBENZOIC ACID	A	2HNC	0.76
MBO	MERCURIBENZOIC ACID	A	2QOA	0.76
BHC	BENZENE HEXACARBOXYLIC ACID	A,B,C,D	1BQ4	0.73
EQU	EQUILENIN	A,B	1OGX	0.74
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.74
EQU	EQUILENIN	A,B	1OH0	0.74
EQU	EQUILENIN	A	1W6Y	0.74
EQU	EQUILENIN	A,B	1CQS	0.74
EQU	EQUILENIN	A	1OGZ	0.74
EQU	EQUILENIN	A	1GS3	0.74
EQU	EQUILENIN	A	1OHO	0.74
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.75
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.81
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.75
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.7
4FC		A	1YSG	0.87
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.79
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.79
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.77
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.77
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.71
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.75
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.75
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
26C		A,B	2F7I	0.87
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.75
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
ANF	ANTHRONE	H	2BJM	0.73
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.79
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.79
PHT	PHTHALIC ACID	A,B,C	2B7P	0.8
PHT	PHTHALIC ACID	A	3C2V	0.8
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.8
PHT	PHTHALIC ACID	A,B	3C2R	0.8
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.72
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.79
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.77
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.75
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.72
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.72
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.76
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.81
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.8
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.72
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.73
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.85
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.87
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.75
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.76
FLP	FLURBIPROFEN	A,B	1CQE	0.76
FLP	FLURBIPROFEN	A,B	1EQH	0.76
FLP	FLURBIPROFEN	A,B	2AYL	0.76
FLP	FLURBIPROFEN	A	1DVT	0.76
FLP	FLURBIPROFEN	A	1R9O	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.74
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.72
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.75
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.71
PMA	PYROMELLITIC ACID	A,B	1FUP	0.79
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.71
BFL		A,B	1Q4G	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.89
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.89
OX1		H,Y	1LO2	0.77
BEZ	BENZOIC ACID	A,B	2F8D	0.76
BEZ	BENZOIC ACID	A,B	1A8U	0.76
BEZ	BENZOIC ACID	A,B	1REE	0.76
BEZ	BENZOIC ACID	A	1L7Q	0.76
BEZ	BENZOIC ACID	A	1I69	0.76
BEZ	BENZOIC ACID	H,L	1RUL	0.76
BEZ	BENZOIC ACID	A,B	3CCF	0.76
BEZ	BENZOIC ACID	A	1W9Q	0.76
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.76
BEZ	BENZOIC ACID	H,L	1RUA	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.76
BEZ	BENZOIC ACID	H,L	1RU9	0.76
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.76
BEZ	BENZOIC ACID	A	2QMQ	0.76
BEZ	BENZOIC ACID	A	1UKB	0.76
BEZ	BENZOIC ACID	A,B	1RED	0.76
BEZ	BENZOIC ACID	A,B	1OC3	0.76
BEZ	BENZOIC ACID	A,B	1REF	0.76
BEZ	BENZOIC ACID	A,B	2O02	0.76
BEZ	BENZOIC ACID	A,B	2VJ1	0.76
BEZ	BENZOIC ACID	A,B,C	1WSP	0.76
BEZ	BENZOIC ACID	A	1HZ4	0.76
BEZ	BENZOIC ACID	A	2Q38	0.76
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.76
BEZ	BENZOIC ACID	A,B	2QL8	0.76
BEZ	BENZOIC ACID	A	2Q0I	0.76
BEZ	BENZOIC ACID	A,B	1S8F	0.76
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.76
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.76
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.76
BEZ	BENZOIC ACID	A,B	2F78	0.76
BEZ	BENZOIC ACID	A,B	2VL2	0.76
BEZ	BENZOIC ACID	A	1HD2	0.76
BEZ	BENZOIC ACID	A	1JU4	0.76
BEZ	BENZOIC ACID	H,L	2AJY	0.76
BEZ	BENZOIC ACID	A,B,C	3GV1	0.76
BEZ	BENZOIC ACID	A	2Q6U	0.76
BEZ	BENZOIC ACID	A,B	1VE9	0.76
BEZ	BENZOIC ACID	A,B	1S9A	0.76
BEZ	BENZOIC ACID	H,L,M	1OP3	0.76
BEZ	BENZOIC ACID	A	1W9E	0.76
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.76
BEZ	BENZOIC ACID	H,L	2AK1	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.76
BEZ	BENZOIC ACID	A,B	1GYX	0.76
BEZ	BENZOIC ACID	A	1V1T	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.76
BEZ	BENZOIC ACID	A,B	1HKQ	0.76
BEZ	BENZOIC ACID	H,L	1RUK	0.76
BEZ	BENZOIC ACID	A	2Q1B	0.76
BEZ	BENZOIC ACID	H,L	1RUM	0.76
BEZ	BENZOIC ACID	A,B	2F7A	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.76
BEZ	BENZOIC ACID	A,B	2V7B	0.76
BEZ	BENZOIC ACID	H	1NCW	0.76
BEZ	BENZOIC ACID	A,B	1TMX	0.76
BEZ	BENZOIC ACID	A	1URM	0.76
BEZ	BENZOIC ACID	A	1W9O	0.76
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.76
BEZ	BENZOIC ACID	H	1RUP	0.76
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.76
BEZ	BENZOIC ACID	A	2Q9R	0.76
BEZ	BENZOIC ACID	D,H	2OK6	0.76
BEZ	BENZOIC ACID	A,B	2Q0J	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.88
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.85
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.85
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.85
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.74
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.9
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.76
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.72
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.72
TRZ	TRAZEOLIDE	A	1C12	0.75
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.7
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.7
FHI		A,B	1Y1D	0.75