MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280607

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
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.76
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
BFL		A,B	1Q4G	0.81
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.75
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.72
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.73
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.77
S1A	SORAPHEN A	A,B	3GID	0.74
S1A	SORAPHEN A	A,B,C	1W96	0.74
4FC		A	1YSG	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.78
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.72
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.72
ENM	(5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE	A	2PNU	0.7
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.7
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.76
HE7	4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.74
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.7
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.78
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.71
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.78
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.81
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
791	2-PHENYLMALONIC ACID	A	1O4P	0.79
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.72
TRZ	TRAZEOLIDE	A	1C12	0.77
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.7
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.82
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.82
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.82
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	0.73
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.75
IBP	IBUPROFEN	A	3FKX	0.82
IBP	IBUPROFEN	A,B	2BXG	0.82
IBP	IBUPROFEN	A,B	1EQG	0.82
IBP	IBUPROFEN	A,B,C	2WD9	0.82
IBP	IBUPROFEN	A	2PWS	0.82
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.77
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.7
OX1		H,Y	1LO2	0.75
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.8
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.8
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.8
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.86
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.86
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.86
PAC	2-PHENYLACETIC ACID	B	1PNL	0.78
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.78
PAC	2-PHENYLACETIC ACID	B	1FXH	0.78
PAC	2-PHENYLACETIC ACID	A	2ISF	0.78
PAC	2-PHENYLACETIC ACID	A	2INE	0.78
PHT	PHTHALIC ACID	A,B,C	2B7P	0.74
PHT	PHTHALIC ACID	A	3C2V	0.74
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.74
PHT	PHTHALIC ACID	A,B	3C2R	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.8
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.8
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.82
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.79
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.79
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.79
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.79
HCI	HYDROCINNAMIC ACID	A	1TOI	0.79
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.79
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.79
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.74
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.74
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.74