MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02876722

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
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.72
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.73
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
24I	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	A	2C6C	0.77
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
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.85
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.74
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	0.74
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.74
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
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.76
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.76
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.78
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.78
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.72
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.72
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.74
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
0A9	methyl L-phenylalaninate	A	1AY2	0.72
0A9	methyl L-phenylalaninate	I	5ER1	0.72
0A9	methyl L-phenylalaninate	I,P	1HDT	0.72
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.75
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D	1A08	0.7
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D,E,F	1QZ0	0.7
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D,E,F	1XXV	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.81
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.81
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
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
3PL	3-PHENYLPROPANAL	E	1Y3G	0.73
BFL		A,B	1Q4G	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
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
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.74
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.74
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.74
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.74
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.74
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
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
RMN	(R)-MANDELIC ACID	A	1MDL	0.7
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.77
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.77
PAC	2-PHENYLACETIC ACID	B	1FXH	0.77
PAC	2-PHENYLACETIC ACID	A	2ISF	0.77
PAC	2-PHENYLACETIC ACID	A	2INE	0.77