MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03216494

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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.7
AC0	1-PHENYLETHANONE	A	1ZK4	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.74
PXY	PARA-XYLENE	A	187L	0.78
PXY	PARA-XYLENE	A	225L	0.78
MBN	TOLUENE	A,B	3D7O	0.78
MBN	TOLUENE	A,B	1R1X	0.78
MBN	TOLUENE	A,B	1JLX	0.78
MBN	TOLUENE	A,B,C,D	3D17	0.78
MBN	TOLUENE	A,B	2VRL	0.78
MBN	TOLUENE	A,I	2Z3E	0.78
MBN	TOLUENE	A,B	1YZI	0.78
MBN	TOLUENE	A,B	2DN1	0.78
MBN	TOLUENE	A,B	3EN1	0.78
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.75
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.75
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.75
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
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	0.7
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.73
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.75
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
BDB		A,B	1KE3	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
FPR	PROPYLBENZENE	C	1RHK	0.78
DEN	INDENE	A	183L	0.7
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.81
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.81
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.81
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
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
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
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	0.71
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	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
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.7
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.7
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.7
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.75
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.76
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.76
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.76
PYL	PHENYLETHANE	C	1B07	0.78
PYL	PHENYLETHANE	A,B	2VRM	0.78
PYL	PHENYLETHANE	A	1NHB	0.78
HBX	benzaldehyde	A,B	3GDN	0.7
N4B	N-BUTYLBENZENE	A	186L	0.78
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.71
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.8
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72