MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02678153

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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.81
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.81
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.79
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.77
FLP	FLURBIPROFEN	A,B	1CQE	0.77
FLP	FLURBIPROFEN	A,B	1EQH	0.77
FLP	FLURBIPROFEN	A,B	2AYL	0.77
FLP	FLURBIPROFEN	A	1DVT	0.77
FLP	FLURBIPROFEN	A	1R9O	0.77
791	2-PHENYLMALONIC ACID	A	1O4P	0.77
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.78
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
BFL		A,B	1Q4G	0.79
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.75
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.75
CT1	(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE	A	2AUX	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.79
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
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	0.77
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.76
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.76
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.76
PEL	2-PHENYL-ETHANOL	A	1EYW	0.76
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.76
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
SS1	1-PHENYLETHANOL	H	1UM5	0.75
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.74
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
RMN	(R)-MANDELIC ACID	A	1MDL	0.74
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.75
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.76
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.76
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.76
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.76
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.76
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.76
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.76
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.76
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.76
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.76
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.75
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.75
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	0.79
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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.81
IBP	IBUPROFEN	A	3FKX	0.83
IBP	IBUPROFEN	A,B	2BXG	0.83
IBP	IBUPROFEN	A,B	1EQG	0.83
IBP	IBUPROFEN	A,B,C	2WD9	0.83
IBP	IBUPROFEN	A	2PWS	0.83
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.73
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.83
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
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.7
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
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.74
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	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.79
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	0.79
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	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.79
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.75
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.74
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.72
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.72
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.72