MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253184

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
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.75
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.75
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.82
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.75
B28		A,B	2E9A	0.73
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.72
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
B08		A,B	2E99	0.72
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
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.75
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.75
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.75
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.77
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.8
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.8
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.8
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.74
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.78
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.78
HCI	HYDROCINNAMIC ACID	A	1TOI	0.78
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.78
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.78
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	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.88
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.88
OX1		H,Y	1LO2	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.78
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.77
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.77
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.77
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.77
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.75
BFL		A,B	1Q4G	0.82
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.75
IBP	IBUPROFEN	A	3FKX	0.8
IBP	IBUPROFEN	A,B	2BXG	0.8
IBP	IBUPROFEN	A,B	1EQG	0.8
IBP	IBUPROFEN	A,B,C	2WD9	0.8
IBP	IBUPROFEN	A	2PWS	0.8
ANF	ANTHRONE	H	2BJM	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.79
FLP	FLURBIPROFEN	A,B	1CQE	0.79
FLP	FLURBIPROFEN	A,B	1EQH	0.79
FLP	FLURBIPROFEN	A,B	2AYL	0.79
FLP	FLURBIPROFEN	A	1DVT	0.79
FLP	FLURBIPROFEN	A	1R9O	0.79
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.71
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.79
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.75
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.8
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.81
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
FBC		A,B	2B9A	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.79
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.83
PEY	PHENANTHRENE	A,B	2HML	0.72
PEY	PHENANTHRENE	A,B	2HMK	0.72
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.77
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.7
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.78
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.78
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.99
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.99
4FC		A	1YSG	0.73
TRZ	TRAZEOLIDE	A	1C12	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.96
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.77
26C		A,B	2F7I	0.72
AN3	ANTHRACENE	A,B	2HMN	0.72
AN3	ANTHRACENE	A,B	2HMM	0.72