MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00261094

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
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.73
B28		A,B	2E9A	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.77
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.7
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
B08		A,B	2E99	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.98
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.98
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
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.78
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.78
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.72
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
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.74
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
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.79
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.79
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
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	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	0.74
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
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.79
AN3	ANTHRACENE	A,B	2HMN	0.71
AN3	ANTHRACENE	A,B	2HMM	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.7
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.75
OX1		H,Y	1LO2	0.79
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.84
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.87
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.87
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
791	2-PHENYLMALONIC ACID	A	1O4P	0.74
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.77
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
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.78
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.78
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.78
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.81
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.73
BFL		A,B	1Q4G	0.83
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.76
PEY	PHENANTHRENE	A,B	2HML	0.71
PEY	PHENANTHRENE	A,B	2HMK	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.97
4FC		A	1YSG	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.75
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1FXH	0.75
PAC	2-PHENYLACETIC ACID	A	2ISF	0.75
PAC	2-PHENYLACETIC ACID	A	2INE	0.75
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.73
FBC		A,B	2B9A	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
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
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.8
IBP	IBUPROFEN	A	3FKX	0.81
IBP	IBUPROFEN	A,B	2BXG	0.81
IBP	IBUPROFEN	A,B	1EQG	0.81
IBP	IBUPROFEN	A,B,C	2WD9	0.81
IBP	IBUPROFEN	A	2PWS	0.81
TRZ	TRAZEOLIDE	A	1C12	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.8
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.81
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	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	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.8
FLP	FLURBIPROFEN	A,B	1CQE	0.8
FLP	FLURBIPROFEN	A,B	1EQH	0.8
FLP	FLURBIPROFEN	A,B	2AYL	0.8
FLP	FLURBIPROFEN	A	1DVT	0.8
FLP	FLURBIPROFEN	A	1R9O	0.8
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	0.74
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.7
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
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.77
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.77
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79