MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03914936

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
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.79
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.74
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	B,C	1GG6	0.71
APF	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	G	6GCH	0.71
STF	(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]- 1,3-THIAZOL-4-ONE	A	2EXG	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
BFL		A,B	1Q4G	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.74
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.74
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.74
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.74
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.74
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.74
VK3	MENADIONE	A	1TUV	0.76
VK3	MENADIONE	A,B	2QR2	0.76
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.76
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.8
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.74
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.78
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
1LP	TRANYLCYPROMINE	A,B	1OJB	0.82
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.74
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.74
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.74
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.74
N4B	N-BUTYLBENZENE	A	186L	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.81
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.81
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.86
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	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
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.76
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.82
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.82
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.82
HBX	benzaldehyde	A,B	3GDN	0.73
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.74
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.74
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.74
FPR	PROPYLBENZENE	C	1RHK	0.76
BDB		A,B	1KE3	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72