MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02346765

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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.97
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.97
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	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	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.75
FBC		A,B	2B9A	0.71
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.8
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.74
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.74
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.94
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.74
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.74
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.74
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
BFL		A,B	1Q4G	0.8
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.76
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.76
26C		A,B	2F7I	0.71
EQU	EQUILENIN	A,B	1OGX	0.72
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.72
EQU	EQUILENIN	A,B	1OH0	0.72
EQU	EQUILENIN	A	1W6Y	0.72
EQU	EQUILENIN	A,B	1CQS	0.72
EQU	EQUILENIN	A	1OGZ	0.72
EQU	EQUILENIN	A	1GS3	0.72
EQU	EQUILENIN	A	1OHO	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.77
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.77
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.77
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.75
OX1		H,Y	1LO2	0.79
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
B28		A,B	2E9A	0.72
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.75
TRZ	TRAZEOLIDE	A	1C12	0.72
4FC		A	1YSG	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.78
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.78
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.76
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.74
B08		A,B	2E99	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.75
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	0.71
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.76
HCI	HYDROCINNAMIC ACID	A	1TOI	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.76
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.76
AN3	ANTHRACENE	A,B	2HMN	0.7
AN3	ANTHRACENE	A,B	2HMM	0.7
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.86
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.86
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.76
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.76
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.76
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.82
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	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	0.79
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.76
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.72
PEY	PHENANTHRENE	A,B	2HML	0.7
PEY	PHENANTHRENE	A,B	2HMK	0.7